bond lengths bug in r3067-20090410?

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Jen

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Apr 28, 2009, 5:24:06 PM4/28/09
to diffpy-dev
Hello,

I am trying to determine bond lengths from the structure element in a
fit using the
phases --> calculate bond lengths submenu, but there seems to be an
offset or other error. When I select the "All" range, and then
specify an r_min and r_max value, the program seems to default to
r_min=0, r_max_actual = r_min_specified, so the range is from 0-
>r_min_specified.

I am using mac OSX, 10.5.6, pdfgui build r3067-20090410, Python
2.5.4.

Thanks,
Jen

Pavol Juhas

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Apr 28, 2009, 6:12:01 PM4/28/09
to Jen, diffpy-dev
Hi Jen,

I cannot reproduce this. I have selected the PDFgui bond lengths menu,
filled in rmin, rmax and after hitting OK, the output window showed
bonds in that distance interval. Please, check the first line in
the output window, it should look like

(ALL,ALL) bond lengths in [2A,5A] for current phase :

does the bracket show correct [rmin, rmax] values?
What structure have you used for calculating bond lenghts?

If there are still problems, please send me step-by-step
instructions how to repeat them. Thank you,

Pavol

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